CID 23154585

2-iodo-4-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C4HF3INS
SMILES
C1=C(N=C(S1)I)C(F)(F)F
InChI
InChI=1S/C4HF3INS/c5-4(6,7)2-1-10-3(8)9-2/h1H
InChIKey
NEZIEJBZBMSGDB-UHFFFAOYSA-N
Compound name
2-iodo-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

278.88266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.88994 130.6
[M+Na]+ 301.87188 134.7
[M-H]- 277.87538 123.5
[M+NH4]+ 296.91648 147.4
[M+K]+ 317.84582 138.2
[M+H-H2O]+ 261.87992 119.8
[M+HCOO]- 323.88086 141.7
[M+CH3COO]- 337.89651 183.8
[M+Na-2H]- 299.85733 121.9
[M]+ 278.88211 126.5
[M]- 278.88321 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe